N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide

C27H30N6O2 — CID 146667019

IUPACN-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NC1C2CCC1CN(c1ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn1)C2
InChIInChI=1S/C27H30N6O2/c1-4-17(3)27(34)31-25-19-6-7-20(25)15-32(14-19)24-9-8-18(12-29-24)23-10-22(35-5-2)16-33-26(23)21(11-28)13-30-33/h4,8-10,12-13,16-17,19-20,25H,1,5-7,14-15H2,2-3H3,(H,31,34)
InChIKeySFHOHRGIPNCTCT-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.82
Rot. Bonds7

About N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide

N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide (PubChem CID 146667019) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide.

Molecular Properties

Compound NameN-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide
PubChem CID146667019
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NC1C2CCC1CN(c1ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn1)C2
InChIInChI=1S/C27H30N6O2/c1-4-17(3)27(34)31-25-19-6-7-20(25)15-32(14-19)24-9-8-18(12-29-24)23-10-22(35-5-2)16-33-26(23)21(11-28)13-30-33/h4,8-10,12-13,16-17,19-20,25H,1,5-7,14-15H2,2-3H3,(H,31,34)
InChIKeySFHOHRGIPNCTCT-UHFFFAOYSA-N
XLogP3.82
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667037
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153317960

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide?
The IUPAC name of N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide (CID 146667019) is N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide.
What is the SMILES notation for N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide?
The canonical SMILES for N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide is C=CC(C)C(=O)NC1C2CCC1CN(c1ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn1)C2.
What is the InChIKey of N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide?
The InChIKey is SFHOHRGIPNCTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-4-17(3)27(34)31-25-19-6-7-20(25)15-32(14-19)24-9-8-18(12-29-24)23-10-22(35-5-2)16-33-26(23)21(11-28)13-30-33/h4,8-10,12-13,16-17,19-20,25H,1,5-7,14-15H2,2-3H3,(H,31,34).
What are the key properties of N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide?
N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide has a molecular weight of 470.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]-2-methylbut-3-enamide is sourced from PubChem (CID 146667019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).